3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

C22H22FN5O2 — CID 71253650

IUPAC3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESCOc1ccc(F)c(-c2nn(C3CCCCO3)c3cnc(-c4cnn(C)c4)cc23)c1
InChIInChI=1S/C22H22FN5O2/c1-27-13-14(11-25-27)19-10-17-20(12-24-19)28(21-5-3-4-8-30-21)26-22(17)16-9-15(29-2)6-7-18(16)23/h6-7,9-13,21H,3-5,8H2,1-2H3
InChIKeyBJWZWLXBBCCROV-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.35
Rot. Bonds4

About 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (PubChem CID 71253650) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
PubChem CID71253650
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESCOc1ccc(F)c(-c2nn(C3CCCCO3)c3cnc(-c4cnn(C)c4)cc23)c1
InChIInChI=1S/C22H22FN5O2/c1-27-13-14(11-25-27)19-10-17-20(12-24-19)28(21-5-3-4-8-30-21)26-22(17)16-9-15(29-2)6-7-18(16)23/h6-7,9-13,21H,3-5,8H2,1-2H3
InChIKeyBJWZWLXBBCCROV-UHFFFAOYSA-N
XLogP4.35
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (CID 71253650) is 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is COc1ccc(F)c(-c2nn(C3CCCCO3)c3cnc(-c4cnn(C)c4)cc23)c1.
What is the InChIKey of 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is BJWZWLXBBCCROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-27-13-14(11-25-27)19-10-17-20(12-24-19)28(21-5-3-4-8-30-21)26-22(17)16-9-15(29-2)6-7-18(16)23/h6-7,9-13,21H,3-5,8H2,1-2H3.
What are the key properties of 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 407.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).